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Target
Lysine-specific histone demethylase 1A
Ligand
BDBM50262023
Substrate
n/a
Meas. Tech.
ChEMBL_1696558 (CHEMBL4047448)
Kd
22±n/a nM
Citation
 Mould, DP; Bremberg, U; Jordan, AM; Geitmann, M; McGonagle, AE; Somervaille, TCP; Spencer, GJ; Ogilvie, DJ Development and evaluation of 4-(pyrrolidin-3-yl)benzonitrile derivatives as inhibitors of lysine specific demethylase 1. Bioorg Med Chem Lett 27:4755-4759 (2017) [PubMed]  Article 
Target
Name:
Lysine-specific histone demethylase 1A
Synonyms:
AOF2 | BRAF35-HDAC complex protein BHC110 | Flavin-containing amine oxidase domain-containing protein 2 | KDM1 | KDM1A | KDM1A_HUMAN | KIAA0601 | LSD1 | Lysine-specific demethylase 1 (LSD1) | Lysine-specific histone demethylase 1 | Lysine-specific histone demethylase 1 (LSD1)
Type:
Enzyme
Mol. Mass.:
92901.01
Organism:
Homo sapiens (Human)
Description:
O60341
Residue:
852
Sequence:
MLSGKKAAAAAAAAAAAATGTEAGPGTAGGSENGSEVAAQPAGLSGPAEVGPGAVGERTPRKKEPPRASPPGGLAEPPGSAGPQAGPTVVPGSATPMETGIAETPEGRRTSRRKRAKVEYREMDESLANLSEDEYYSEEERNAKAEKEKKLPPPPPQAPPEEENESEPEEPSGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALCKEYDELAETQGKLEEKLQELEANPPSDVYLSSRDRQILDWHFANLEFANATPLSTLSLKHWDQDDDFEFTGSHLTVRNGYSCVPVALAEGLDIKLNTAVRQVRYTASGCEVIAVNTRSTSQTFIYKCDAVLCTLPLGVLKQQPPAVQFVPPLPEWKTSAVQRMGFGNLNKVVLCFDRVFWDPSVNLFGHVGSTTASRGELFLFWNLYKAPILLALVAGEAAGIMENISDDVIVGRCLAILKGIFGSSAVPQPKETVVSRWRADPWARGSYSYVAAGSSGNDYDLMAQPITPGPSIPGAPQPIPRLFFAGEHTIRNYPATVHGALLSGLREAGRIADQFLGAMYTLPRQATPGVPAQQSPSM
  
Inhibitor
Name:
BDBM50262023
Synonyms:
CHEMBL4071991
Type:
Small organic molecule
Emp. Form.:
C26H31N3O
Mol. Mass.:
401.5438
SMILES:
Cc1ccc(cc1)[C@@H]1CN(C[C@H]1c1ccc(cc1)C#N)C(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:22.24,11.13,wD:7.7,25.28,(42.67,-23.42,;41.74,-24.67,;40.2,-24.48,;39.28,-25.72,;39.9,-27.13,;41.43,-27.32,;42.35,-26.08,;38.97,-28.37,;39.43,-29.84,;38.17,-30.74,;36.94,-29.81,;37.42,-28.35,;36.54,-27.09,;37.18,-25.69,;36.29,-24.43,;34.75,-24.57,;34.1,-25.97,;35,-27.23,;33.87,-23.31,;32.97,-22.04,;38.15,-32.28,;36.81,-33.03,;39.48,-33.07,;40.81,-32.3,;42.14,-33.09,;42.12,-34.63,;43.44,-35.42,;43.42,-36.96,;40.77,-35.38,;39.46,-34.6,)|
Structure:
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